Related papers: Gating of single molecule junction conductance by …
We study thermal and electrical transport in metals and superconductors near a quantum phase transition where antiferromagnetic order disappears. The same theory can also be applied to quantum phase transitions involving the loss of certain…
This thesis investigates the mechanically controlled break junctions, with a particular emphasis on elucidating the behaviour of molecular currents at room temperature. The core of this experimental investigation involves a detailed…
Recent STM molecular break-junction experiments have revealed multiple series of peaks in the conductance histograms of alkanedithiols. To resolve a current controversy, we present here an in-depth study of charge transport properties of…
Two-dimensional materials represented by graphene and transition metal dichalcogenides undergo charge transfer (CT) processes and become hole-doped in strong mineral acids. Nonetheless, their mechanisms remain unclear or controversial. This…
We utilize a glass-like structural transition in order to induce a Mott metal-insulator transition in the quasi-two-dimensional organic charge-transfer salt $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Br. In this material, the terminal ethylene…
We explore the nature of the metal-insulator transition in $\beta^{\prime\prime}$-(BEDT-TTF)$_{2}$Hg(SCN)$_{2}$Cl by x-ray, electrical transport, ESR, Raman and infrared investigations. Magnetic and vibrational spectroscopy concurrently…
We measure the conductance of amine-terminated molecules by breaking Au point contacts in a molecular solution at room temperature. We find that the variability of the observed conductance for the diamine molecule-Au junctions is much less…
We discuss the nature of charge transfer in molecular conductors upon connecting to two metallic contacts and imposing a voltage bias across them. The sign of the charge transfer (oxidation vs. reduction) depends on the position of the…
We study heat transport in normal/superconducting graphene junctions. We find that while the thermal conductance displays the usual exponential dependence on temperature, reflecting the s-wave symmetry of the superconductor, it exhibits an…
Miniaturized electronics require lightweight conductors that maintain high conductance under demanding conditions. CNT networks are promising candidates, but their transport is governed by inter-nanotube junctions where electron waves…
The appealing feature of molecular electronics is the possibility of exploiting functionality built within a single molecule. This functionality can be employed, for example, for sensing or switching purposes. Thus, ideally, the associated…
Dots are ideal systems to study fundamentals on heat transfer at the nanoscale and promising nanoscale heat-engines and thermal devices. Here, we report on the validation of our theoretical model on the thermal conductance of a metallic dot…
We carry out a systematic study of the thermal conductivity of four single-layer transition metal dichalcogenides, MX$_2$ (M = Mo, W; X = S, Se) from first-principles by solving the Boltzmann Transport Equation (BTE). We compare three…
We present ab initio calculations of transport properties of atomic-sized aluminum contacts in the presence of oxygen. The experimental situation is modeled by considering a single oxygen atom (O) or one of the molecules O2 and O3 bridging…
Recently, superconductivity was discovered at very low densities in slightly misaligned graphene multilayers. Surprisingly, despite extremely low electronic density (about $10^{-4}$ electrons per unit cell), these systems realize…
Single dopants in semiconductor nanostructures have been studied in great details recently as they are good candidates for quantum bits, provided they are coupled to a detector. Here we report coupling of a single As donor atom to a…
Molecule-electrode contact atomic structures are a critical factor that characterizes molecular devices, but their precise understanding and control still remain elusive. Based on combined first-principles calculations and single-molecule…
Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…
In bulk semiconductor materials, the insulator-metal transition (IMT) is governed by the concentration of conduction electrons. Meanwhile, even when fabricated from metallic building blocks, nanocrystal films are often insulating with…
We report on the single-molecule electronic and thermoelectric properties of strategically chosen anthracene-based molecules with anchor groups capable of binding to noble metal substrates, such as gold and platinum. Specifically, we study…